3-(ethoxymethyl)-5-iodoimidazole-4-carbaldehyde

C7H9IN2O2 — CID 102251748

IUPAC3-(ethoxymethyl)-5-iodoimidazole-4-carbaldehyde
SMILESCCOCn1cnc(I)c1C=O
InChIInChI=1S/C7H9IN2O2/c1-2-12-5-10-4-9-7(8)6(10)3-11/h3-4H,2,5H2,1H3
InChIKeyHYIMCJOJJLOTLD-UHFFFAOYSA-N
MW280.06 g/mol
LogP1.29
Rot. Bonds4

About 3-(ethoxymethyl)-5-iodoimidazole-4-carbaldehyde

3-(ethoxymethyl)-5-iodoimidazole-4-carbaldehyde (PubChem CID 102251748) has the molecular formula C7H9IN2O2 and a molecular weight of 280.06 g/mol. Its IUPAC name is 3-(ethoxymethyl)-5-iodoimidazole-4-carbaldehyde.

Molecular Properties

Compound Name3-(ethoxymethyl)-5-iodoimidazole-4-carbaldehyde
PubChem CID102251748
Molecular FormulaC7H9IN2O2
Molecular Weight280.06 g/mol
Exact Mass279.97
IUPAC Name3-(ethoxymethyl)-5-iodoimidazole-4-carbaldehyde
SMILESCCOCn1cnc(I)c1C=O
InChIInChI=1S/C7H9IN2O2/c1-2-12-5-10-4-9-7(8)6(10)3-11/h3-4H,2,5H2,1H3
InChIKeyHYIMCJOJJLOTLD-UHFFFAOYSA-N
XLogP1.29
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.06
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-5-iodoimidazole-4-carbaldehyde?
The IUPAC name of 3-(ethoxymethyl)-5-iodoimidazole-4-carbaldehyde (CID 102251748) is 3-(ethoxymethyl)-5-iodoimidazole-4-carbaldehyde.
What is the SMILES notation for 3-(ethoxymethyl)-5-iodoimidazole-4-carbaldehyde?
The canonical SMILES for 3-(ethoxymethyl)-5-iodoimidazole-4-carbaldehyde is CCOCn1cnc(I)c1C=O.
What is the InChIKey of 3-(ethoxymethyl)-5-iodoimidazole-4-carbaldehyde?
The InChIKey is HYIMCJOJJLOTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2O2/c1-2-12-5-10-4-9-7(8)6(10)3-11/h3-4H,2,5H2,1H3.
What are the key properties of 3-(ethoxymethyl)-5-iodoimidazole-4-carbaldehyde?
3-(ethoxymethyl)-5-iodoimidazole-4-carbaldehyde has a molecular weight of 280.06 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-5-iodoimidazole-4-carbaldehyde is sourced from PubChem (CID 102251748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).